ethyl 4-[2-(4-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoate

Systemtic Name: ethyl 4-[2-(4-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoate Openeye Name: ethyl 4-[2-(2-isopropyl-4-methyl-3-oxo-1,4-benzothiazin-2-yl)phenoxy]butanoate CAS Name: 4-[2-(4-methyl-3-oxo-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-3-oxo-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoate Traditional Name: 4-[2-(2-isopropyl-3-keto-4-methyl-1,4-benzothiazin-2-yl)phenoxy]butyric acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC=C1C2(C(=O)N(C3=CC=CC=C3S2)C)C(C)C

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC=C1C2(C(=O)N(C3=CC=CC=C3S2)C)C(C)C

InChI

InChI=1S/C24H29NO4S/c1-5-28-22(26)15-10-16-29-20-13-8-6-11-18(20)24(17(2)3)23(27)25(4)19-12-7-9-14-21(19)30-24/h6-9,11-14,17H,5,10,15-16H2,1-4H3